| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 2nd, 2005 | 22 | No |
Popular Name: methyl 5-acetyl-4-(4-fluorophenyl)-2,6-dimethyl-1,4-dihydro-3-pyridinecarboxylate methyl 5-acetyl-4-(4-fluoropheny…
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CAS Number: 478077-84-8
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.48 | 8.1 | -9.54 | 1 | 4 | 0 | 55 | 303.333 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.44 | 1.8 | -8.46 | 0 | 4 | 0 | 55 | 303.333 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.62 | 1.73 | -9.3 | 0 | 4 | 0 | 55 | 303.333 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 159 - 160 | KeyOrganics |
